SCHEMBL18586014

SCHEMBL18586014

Nc1cc(Cc2cn(Cc3ccccc3)nn2)c2nn[nH]c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.67
▸ TPO P07202 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ KCNMA1 Q12791 2/20 0.46
▸ CYP19A1 P11511 6/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ FGFR1 P11362 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18617249 0.88 MPO (0.57) MPOTPOCYP3A4KCNMA1CYP19A1
SCHEMBL18586149 0.83 MPO (0.66) MPOTPOCYP3A4KLKB1
SCHEMBL18586508 0.81 MPO (0.56) MPOTPOCYP3A4
SCHEMBL18617439 0.81 MPO (0.56) MPOTPOCYP3A4
SCHEMBL18586912 0.79 MPO (0.68) MPOTPOCYP3A4KLKB1
SCHEMBL18617772 0.79 MPO (0.44) MPOTPOCYP3A4KLKB1
SCHEMBL18586419 0.78 CYP19A1 (0.48) MPOCYP19A1NPC1RAB9ACDC7
SCHEMBL18617587 0.77 MPO (0.58) MPOTPOCYP3A4KLKB1
SCHEMBL18620306 0.77 MPO (0.60) MPOTPOCYP3A4
SCHEMBL18585955 0.76 MPO (0.57) MPOTPOCYP3A4KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885TPO 7/4885CYP3A4 178/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885TPO 7/4885CYP3A4 178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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